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(2R,4R)-2-(tert-Butyl)-4-(1'-hydroxy-3'-phenyl-2'-propenyl)-1,3-dioxolane-4-carbonthiosaure-S-(tert-butyl)ester
SpectraBase Compound ID 4wGY2F6VpS8
InChI InChI=1S/C21H30O4S/c1-19(2,3)18-24-14-21(25-18,17(23)26-20(4,5)6)16(22)13-12-15-10-8-7-9-11-15/h7-13,16,18,22H,14H2,1-6H3/b13-12+/t16?,18-,21-/m1/s1
InChIKey CZMLXJIROFVMBZ-BXSPPRNNSA-N
Mol Weight 378.53 g/mol
Molecular Formula C21H30O4S
Exact Mass 378.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q0S0TEOnb9
Name (2R,4R)-2-(tert-Butyl)-4-(1'-hydroxy-3'-phenyl-2'-propenyl)-1,3-dioxolane-4-carbonthiosaure-S-(tert-butyl)ester
CAS Registry Number 98041-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4S
InChI InChI=1S/C21H30O4S/c1-19(2,3)18-24-14-21(25-18,17(23)26-20(4,5)6)16(22)13-12-15-10-8-7-9-11-15/h7-13,16,18,22H,14H2,1-6H3/b13-12+/t16?,18-,21-/m1/s1
InChIKey CZMLXJIROFVMBZ-BXSPPRNNSA-N
Molecular Weight 378.527 g/mol
SMILES OC(\C=C\c1ccccc1)[C@@]1(O[C@](C(C)(C)C)(OC1)[H])C(SC(C)(C)C)=O
SPLASH splash10-0a4i-9400000000-fb104b2677b32cba9ba0
Source of Spectrum H-70-1213-14
Synonyms (1E)-4-C-[(tert-butylsulfanyl)carbonyl]-1,2-dideoxy-4,5-O-[(1R)-2,2-dimethylpropylidene]-1-phenyl-D-glycero-pent-1-enitol
Wiley ID 1358777